Regularization of the Coulomb singularity in exact exchange by Wigner-Seitz truncated interactions: Towards chemical accuracy in nontrivial systems
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catalysis (heterogeneous)↗
SEARCH · Engineering Papers
Results for “synthesis (scalable processing)”
Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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Breaking the Theoretical Scaling Limit for Predicting Quasiparticle Energies The Stochastic GW Approach
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charge transport↗
Redox Stable Anodes for Solid Oxide Fuel Cells
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carbon sequestration↗
Selective Deoxygenation of Aldehydes: The Reaction of Acetaldehyde and Glycolaldehyde on Zn/Pt(111) Bimetallic Surfaces
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bio-inspired↗
An Improvement to COSMO-SAC for Predicting Thermodynamic Properties
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bio-inspired↗
Simulating Adsorptive Expansion of Zeolites: Application to Biomass-Derived Solutions in Contact with Silicalite
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bio-inspired↗
Modelling the assembly of nanoporous silica materials
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bio-inspired↗
Condensation Heat Transfer on Superhydrophobic Surfaces
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charge transport↗
25th Anniversary Article: Bulk Heterojunction Solar Cells: Understanding the Mechanism of Operation
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bio-inspired↗
Origin of 5-Hydroxymethylfurfural Stability in Water/Dimethyl Sulfoxide Mixtures
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bio-inspired↗
Analysis of scalable data-privatization threading algorithms for hybrid MPI/OpenMP parallelization of molecular dynamics
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charge transport↗
Comparison of Ethylene Glycol Steam Reforming Over Pt and NiPt Catalysts on Various Supports
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bio-inspired↗
Boundary-limited thermal conduction of crystalline rods oriented near phonon-focusing caustics
Not Available
Every, A. G.↗
The Role of Sample Dimension and Temperature in Cellulose Pyrolysis
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bio-inspired↗
INFLUENCE OF EXCITON DIFFUSION AND CHARGE-TRANSFER STATE DISSOCIATION EFFICIENCY ON THE SHORT-CIRCUIT CURRENT DENSITIES IN SEMI-RANDOM DONOR/ACCEPTOR POLYMER:FULLERENE SOLAR CELLS
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charge transport↗
Aqueous Colloidal Acene Nanoparticles: A New Platform for Studying Singlet Fission
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charge transport↗
p-Xylene Formation by Dehydrative Aromatization of a Diels-Alder Product in Lewis and Bronsted Acidic Zeolites
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bio-inspired↗